Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 12/20 | 0.41 |
| ▸ | GCK | P35557 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 3/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CBLB | Q13191 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19864657 | 0.88 | PDE2A (0.36) | MAPK1PDE2AIDO1KCNH2 | |
| SCHEMBL23619081 | 0.88 | MAPK1 (0.39) | MAPK1PDE2AIDO1KCNH2 | |
| SCHEMBL23619077 | 0.85 | MAPK1 (0.41) | MAPK1GCKPDE2ARORCCBLB | |
| SCHEMBL23619030 | 0.78 | RORC (0.41) | MAPK1PDE2ARORC | |
| SCHEMBL19864427 | 0.78 | MAPK1 (0.38) | MAPK1GCKPDE2ARORC | |
| SCHEMBL19859201 | 0.74 | CYP2C9 (0.37) | IDO1KCNH2 | |
| SCHEMBL19864556 | 0.74 | ALDH1A1 (0.35) | IDO1KCNH2 | |
| SCHEMBL19864490 | 0.73 | PDE2A (0.37) | MAPK1PDE2A | |
| SCHEMBL19864656 | 0.73 | MAPK1 (0.39) | MAPK1PDE2A | |
| SCHEMBL19864560 | 0.73 | IDO1 (0.33) | IDO1KCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021136339-A1 | AMIDE COMPOUND WITH BICYCLIC STRUCTURE AND USE THEREOF IN DRUG | 广东东阳光药业有限公司 | 2021-07-08 | — | — | WO | disclosed |